AG003GGV

327-74-2 | 4-Amino-3-trifluoromethylbenzonitrile

AG003GGV

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CAS Number	327-74-2
Catalog Number	AG003GGV(AGN-PC-0KKZLP)
Chemical Name	4-Amino-3-trifluoromethylbenzonitrile
IUPAC Name	4-amino-3-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H5F3N2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3H,13H2
InChI Key	MWLZJOBGDXBMBP-UHFFFAOYSA-N
MDL Number	MFCD00275473
Molecular Formula	C8H5F3N2
Molecular Weight	186.1339
SMILES	N#CC1=CC=C(N)C(C(F)(F)F)=C1
Synonyms	327-74-2, 4-amino-3-(trifluoromethyl)benzonitrile, 4-AMINO-3-TRIFLUOROMETHYLBENZONITRILE, 2-Amino-5-cyanobenzotrifluoride, 2-trifluoromethyl-4-cyanoaniline, 4-Cyano-2-(trifluoromethyl)aniline, 2-amino-5cyano-trifluorotoluene, 3-trifluoromethyl-4-aminobenzonitrile, Benzonitrile, 4-amino-3-(trifluoromethyl)-, MFCD00275473, 4-amino-3-trifluoromethyl-benzonitrile, 4-amino-3-(trifluoromethyl)benzenecarbonitrile, 4-Amino-3-trifluoromethylbenzonitrile;2-Amino-5-cyanobenzotrifluoride, PubChem2174, 2-Amino-5-cy, AC1MCVNU, AC1Q50QD, SCHEMBL568905, Jsp006029, CTK7C7494, 2-amino-5-cyano benzotrifluoride, DTXSID70381459, BUTTPARK 87\01-75, MWLZJOBGDXBMBP-UHFFFAOYSA-N, WT086, ACT00959, KS-000009WD, ZINC2564945, ANW-47459, CA-235, CL8205, SBB063343, 4-amino-3-trifluoromethyl benzonitrile, AKOS001304324, AC-1090, AM61479, AS00434, AS02767, CM12944, LF10013, LS10484, MCULE-2580858801, PS-8478, RTR-013749, VF10042, 4-amino-5-(trifluoromethyl)benzonitrile, TRA-0205306, NCGC00336303-01, 4-amino-3-(trifluoromethyl)benzoni-trile, AJ-41076, AK-34704, BC211034, BR-34704, CJ-09690, SC-03491, SY018407, AB0012159, DB-023896, ST2405535, TL8001392, 327-74-2 2-amino-5-cyanobenzotrifluoride, A2644, FT-0081737, FT-0631960, ST50408267, TL80090999, EN300-24523, S-1926, AB01129918-03, MFCD00275473 (97+%), I01-1358, I14-10509, Z221604420, Not Available, C8H5F3N2, 2-Amino-5-cyanobenzo trifluoride, ZINC02564945, ACN-055880, CID2779488, N/A,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.137g/mol
Monoisotopic Mass	186.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H315-H319
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P305+P351+P338-P311
UN Code	UN 3439

Certificate of Analysis

Lot Number